SCHEMBL1688987

SCHEMBL1688987

O=c1[nH]c(-c2ccc(Cl)cc2Cl)nc2c1nc(-c1ccc(Cl)cc1)n2-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.43
HSD11B1 P28845 1/20 0.42
NPBWR1 P48145 1/20 0.40
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
PSD A5PKW4 1/20 0.38
EIF4E P06730 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
DHFR P00374 3/20 0.36
PTGES O14684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5611469 0.85 GUSB (0.43) GUSBHSD11B1NPBWR1MAPTPOLB
SCHEMBL5611856 0.83 GUSB (0.45) GUSBHSD11B1NPBWR1DHFRPTGES
SCHEMBL4750784 0.83 DHFR (0.53) GUSBHSD11B1DHFRMEN1LMNA
SCHEMBL5612460 0.83 GUSB (0.43) GUSBHSD11B1DHFRPTGESCYP2C9
SCHEMBL5611677 0.80 PDE5A (0.42) GUSBDHFRMEN1LMNAGAA
SCHEMBL5612482 0.79 GUSB (0.41) GUSBHSD11B1DHFRMEN1LMNA
SCHEMBL5611811 0.77 DHFR (0.61) GUSBMAPTDHFRPTGESCYP2C9
SCHEMBL5611545 0.77 GUSB (0.42) GUSBHSD11B1DHFRMEN1LMNA
SCHEMBL5611661 0.76 TNKS (0.39) GUSBHSD11B1MAPTPOLBDHFR
SCHEMBL5611783 0.75 CYP1A2 (0.43) GUSBPOLBDHFRLMNAPIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO disclosed